ChemSpider 2D Image | 1-(2,3-Dihydroxypropyl)-5-[2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)ethyl]-1H-1,2,3-triazole-4-carboxylic acid | C13H22N4O6

1-(2,3-Dihydroxypropyl)-5-[2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)ethyl]-1H-1,2,3-triazole-4-carboxylic acid

  • Molecular FormulaC13H22N4O6
  • Average mass330.337 Da
  • Monoisotopic mass330.153931 Da
  • ChemSpider ID51712985

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-(2,3-Dihydroxypropyl)-5-[2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)ethyl]-1H-1,2,3-triazol-4-carbonsäure [German] [ACD/IUPAC Name]
1-(2,3-Dihydroxypropyl)-5-[2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)ethyl]-1H-1,2,3-triazole-4-carboxylic acid [ACD/IUPAC Name]
1H-1,2,3-Triazole-4-carboxylic acid, 1-(2,3-dihydroxypropyl)-5-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]- [ACD/Index Name]
Acide 1-(2,3-dihydroxypropyl)-5-[2-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)éthyl]-1H-1,2,3-triazole-4-carboxylique [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.587
Molar Refractivity: 78.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: -0.87
ACD/LogD (pH 5.5): -2.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 147 Å2
Polarizability: 31.2±0.5 10-24cm3
Surface Tension: 54.1±7.0 dyne/cm
Molar Volume: 234.0±7.0 cm3

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